ethyl (1S,2S)-2-[[1-benzofuran-2-ylcarbonyl(cyclohexyl)amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[[1-benzofuran-2-ylcarbonyl(cyclohexyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[benzofuran-2-carbonyl(cyclohexyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[[2-benzofuranyl(oxo)methyl]-cyclohexylamino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[1-benzofuran-2-carbonyl(cyclohexyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[benzofuran-2-carbonyl(cyclohexyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(C2CCCCC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(C2CCCCC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H27NO4/c1-2-26-22(25)18-12-16(18)14-23(17-9-4-3-5-10-17)21(24)20-13-15-8-6-7-11-19(15)27-20/h6-8,11,13,16-18H,2-5,9-10,12,14H2,1H3/t16-,18+/m1/s1